2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole

C19H17NO2S — CID 71293736

IUPAC2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESCc1ccccc1C1CCc2cc(Oc3nccs3)ccc2O1
InChIInChI=1S/C19H17NO2S/c1-13-4-2-3-5-16(13)18-8-6-14-12-15(7-9-17(14)22-18)21-19-20-10-11-23-19/h2-5,7,9-12,18H,6,8H2,1H3
InChIKeyQSBHHBCFPLFTPC-UHFFFAOYSA-N
MW323.42 g/mol
LogP5.31
Rot. Bonds3

About 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole

2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (PubChem CID 71293736) has the molecular formula C19H17NO2S and a molecular weight of 323.42 g/mol. Its IUPAC name is 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.

Molecular Properties

Compound Name2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
PubChem CID71293736
Molecular FormulaC19H17NO2S
Molecular Weight323.42 g/mol
Exact Mass323.10
IUPAC Name2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole
SMILESCc1ccccc1C1CCc2cc(Oc3nccs3)ccc2O1
InChIInChI=1S/C19H17NO2S/c1-13-4-2-3-5-16(13)18-8-6-14-12-15(7-9-17(14)22-18)21-19-20-10-11-23-19/h2-5,7,9-12,18H,6,8H2,1H3
InChIKeyQSBHHBCFPLFTPC-UHFFFAOYSA-N
XLogP5.31
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.42
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The IUPAC name of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole (CID 71293736) is 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole.
What is the SMILES notation for 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The canonical SMILES for 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is Cc1ccccc1C1CCc2cc(Oc3nccs3)ccc2O1.
What is the InChIKey of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
The InChIKey is QSBHHBCFPLFTPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO2S/c1-13-4-2-3-5-16(13)18-8-6-14-12-15(7-9-17(14)22-18)21-19-20-10-11-23-19/h2-5,7,9-12,18H,6,8H2,1H3.
What are the key properties of 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole?
2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole has a molecular weight of 323.42 g/mol, XLogP of 5.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methylphenyl)-3,4-dihydro-2H-chromen-6-yl]oxy]-1,3-thiazole is sourced from PubChem (CID 71293736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).